Inorganic Solid Phases

Pb5.0In8.4Bi1.6S20 (In8.4Pb5Bi1.6S20) Crystal Structure

General Information

  • Phase Label(s): In8.4Pb5Bi1.6S20
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP70
  • Space Group: 11
  • Phase Prototype: In4(In0.88Bi0.12)5Pb5BiS20
  • Measurement Detail(s): automatic diffractometer; 5431 (determination of cell parameters), automatic diffractometer; Bruker AXS SMART APEX (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): sulfide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F2; 216 variables; 4539 reflections; I > 2σ(I), R = 0.034; wR = 0.085
  • Sample Detail(s): sample prepared from PbS, In2S3, Bi2S3, atomic absorption spectroscopy, electron microprobe analysis; 35.0(3) wt.% Pb, 31.7(1) wt.% In, 12.2(1) wt.% Bi, 21.3(1) wt.% S; 34.5 wt.% Pb, 31.2 wt.% In, 11.5 wt.% Bi; amounts of Pb4In3.7Bi2.3S13, single crystal (determination of cell parameters), single crystal, 0.01×0.05×0.16 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: In8.4Pb5Bi1.6S20
  • Alphabetic Formula: Bi1.6In8.4Pb5S20
  • Published Formula: Pb5.0In8.4Bi1.6S20
  • Refined Formula: Bi1.62In8.38Pb5S20
  • Wyckoff Sequence: 11,e35
  • Z Formula Units: 2
  • Density: ρ = 6.17 Mg·m−3

Crystallographic Data

Cell Parameters

Published Data
Standardized Data
Unit Cell
Niggli-Reduced Cell
Space Group
a
b
c
α
β
γ
a/b
b/c
c/a
V

Atom Coordinates

Standardized

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation
Co-ord. No.
Atomic Env.

Published

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation

Displacement Parameters

Isotropic

Site
Published
U [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1128005

  • Copyright

    ©Springer & Material Phases Data System (MPDS), Switzerland & National Institute for Materials Science (NIMS), Japan, 2016

  • Chief Editor

    Pierre Villars, Material Phases Data System (MPDS), CH-6354 Vitznau, Switzerland

    villars.mpds@bluewin.ch

  • Credits

    SpringerMaterials Release 2016.

    Data generated pre-2002: © Springer & MPDS & NIMS; post-2001: © Springer & MPDS

    All Rights Reserved. Version 2016.10.

    Project Coordinator: Shuichi Iwata

    Section-Editor: Karin Cenzual (Crystal Structures)

  • Cite this content

    Citation copied